5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

C17H20BrNO2 — CID 3947407

IUPAC5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C17H20BrNO2/c1-10-3-6-13(7-4-10)19-17(20)16-11(2)14-9-12(18)5-8-15(14)21-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyRAMFVHZOMIMRPP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.81
Rot. Bonds2

About 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 3947407) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID3947407
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C17H20BrNO2/c1-10-3-6-13(7-4-10)19-17(20)16-11(2)14-9-12(18)5-8-15(14)21-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyRAMFVHZOMIMRPP-UHFFFAOYSA-N
XLogP4.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 16589755
5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 16573952
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
[1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 60550137
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 3914686
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 107847340
5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
CID 43843020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 3947407) is 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCC(C)CC2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is RAMFVHZOMIMRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-10-3-6-13(7-4-10)19-17(20)16-11(2)14-9-12(18)5-8-15(14)21-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3947407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).